TDT2MOL 
CSC1=NCCCS1
 17 17  0  0  0  0              0      
   -3.3600    0.9300    0.3900 C   0  0  0  3  0  0
   -2.2500    1.2400   -0.9900 S   0  0  0  0  0  0
   -0.6400    0.5600   -0.6700 C   0  0  0  0  0  0
   -0.4000   -0.6600   -0.5900 N   0  0  0  0  0  0
    0.8000   -1.4100   -0.3500 C   0  0  0  2  0  0
    1.8600   -0.7600    0.5000 C   0  0  0  2  0  0
    2.2600    0.5300   -0.1500 C   0  0  0  2  0  0
    0.8300    1.6100   -0.4100 S   0  0  0  0  0  0
   -4.3500    1.3600    0.1800 H   0  0  0  0  0  0
   -2.9500    1.3800    1.3100 H   0  0  0  0  0  0
   -3.4600   -0.1600    0.5400 H   0  0  0  0  0  0
    0.5200   -2.3700    0.1300 H   0  0  0  0  0  0
    1.2500   -1.6600   -1.3300 H   0  0  0  0  0  0
    1.4500   -0.5600    1.5000 H   0  0  0  0  0  0
    2.7300   -1.4200    0.5900 H   0  0  0  0  0  0
    2.7200    0.3300   -1.1300 H   0  0  0  0  0  0
    2.9900    1.0600    0.4800 H   0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  8  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  9  1  1  0
 10  1  1  0
 11  1  1  0
 12  5  1  0
 13  5  1  0
 14  6  1  0
 15  6  1  0
 16  7  1  0
 17  7  1  0
M  END

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